2,4-dimethyl-5-morpholin-3-yl-1,2,4-triazol-3-one

C8H14N4O2 — CID 130707377

IUPAC2,4-dimethyl-5-morpholin-3-yl-1,2,4-triazol-3-one
SMILESCn1nc(C2COCCN2)n(C)c1=O
InChIInChI=1S/C8H14N4O2/c1-11-7(10-12(2)8(11)13)6-5-14-4-3-9-6/h6,9H,3-5H2,1-2H3
InChIKeyVXEJOPWAFXCDCE-UHFFFAOYSA-N
MW198.23 g/mol
LogP-1.22
Rot. Bonds1

About 2,4-dimethyl-5-morpholin-3-yl-1,2,4-triazol-3-one

2,4-dimethyl-5-morpholin-3-yl-1,2,4-triazol-3-one (PubChem CID 130707377) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 2,4-dimethyl-5-morpholin-3-yl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name2,4-dimethyl-5-morpholin-3-yl-1,2,4-triazol-3-one
PubChem CID130707377
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name2,4-dimethyl-5-morpholin-3-yl-1,2,4-triazol-3-one
SMILESCn1nc(C2COCCN2)n(C)c1=O
InChIInChI=1S/C8H14N4O2/c1-11-7(10-12(2)8(11)13)6-5-14-4-3-9-6/h6,9H,3-5H2,1-2H3
InChIKeyVXEJOPWAFXCDCE-UHFFFAOYSA-N
XLogP-1.22
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-1.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3S)-3-methyl-N-[1-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)morpholine-4-carboxamide
CID 137933652
2-[2-(2-Methoxyethylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62936323
2-[2-(1-Methoxypropan-2-ylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62936661
2-[2-(2-Butoxyethylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62937698
2-[2-(2-Ethoxyethylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62938230
2-(2-Ethoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271699
2-(3-Ethoxypropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271704
2-(2-Methoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66272346
2-(2-Butoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66273410
4-(1-amino-1-iminopropan-2-yl)-N-(oxolan-3-yl)piperazine-1-carboxamide
CID 80256395
2-[2-(3-Methoxypropoxy)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 103185072
2-(2-Propoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 106459736

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-morpholin-3-yl-1,2,4-triazol-3-one?
The IUPAC name of 2,4-dimethyl-5-morpholin-3-yl-1,2,4-triazol-3-one (CID 130707377) is 2,4-dimethyl-5-morpholin-3-yl-1,2,4-triazol-3-one.
What is the SMILES notation for 2,4-dimethyl-5-morpholin-3-yl-1,2,4-triazol-3-one?
The canonical SMILES for 2,4-dimethyl-5-morpholin-3-yl-1,2,4-triazol-3-one is Cn1nc(C2COCCN2)n(C)c1=O.
What is the InChIKey of 2,4-dimethyl-5-morpholin-3-yl-1,2,4-triazol-3-one?
The InChIKey is VXEJOPWAFXCDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-11-7(10-12(2)8(11)13)6-5-14-4-3-9-6/h6,9H,3-5H2,1-2H3.
What are the key properties of 2,4-dimethyl-5-morpholin-3-yl-1,2,4-triazol-3-one?
2,4-dimethyl-5-morpholin-3-yl-1,2,4-triazol-3-one has a molecular weight of 198.23 g/mol, XLogP of -1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-morpholin-3-yl-1,2,4-triazol-3-one is sourced from PubChem (CID 130707377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).